1-(3,5-dimethylcyclohexyl)oxy-4-iodobenzene

C14H19IO — CID 64736506

IUPAC1-(3,5-dimethylcyclohexyl)oxy-4-iodobenzene
SMILESCC1CC(C)CC(Oc2ccc(I)cc2)C1
InChIInChI=1S/C14H19IO/c1-10-7-11(2)9-14(8-10)16-13-5-3-12(15)4-6-13/h3-6,10-11,14H,7-9H2,1-2H3
InChIKeyDWYCMAKDNVEQLV-UHFFFAOYSA-N
MW330.21 g/mol
LogP4.49
Rot. Bonds2

About 1-(3,5-dimethylcyclohexyl)oxy-4-iodobenzene

1-(3,5-dimethylcyclohexyl)oxy-4-iodobenzene (PubChem CID 64736506) has the molecular formula C14H19IO and a molecular weight of 330.21 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)oxy-4-iodobenzene.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)oxy-4-iodobenzene
PubChem CID64736506
Molecular FormulaC14H19IO
Molecular Weight330.21 g/mol
Exact Mass330.05
IUPAC Name1-(3,5-dimethylcyclohexyl)oxy-4-iodobenzene
SMILESCC1CC(C)CC(Oc2ccc(I)cc2)C1
InChIInChI=1S/C14H19IO/c1-10-7-11(2)9-14(8-10)16-13-5-3-12(15)4-6-13/h3-6,10-11,14H,7-9H2,1-2H3
InChIKeyDWYCMAKDNVEQLV-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)oxy-4-iodobenzene?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)oxy-4-iodobenzene (CID 64736506) is 1-(3,5-dimethylcyclohexyl)oxy-4-iodobenzene.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)oxy-4-iodobenzene?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)oxy-4-iodobenzene is CC1CC(C)CC(Oc2ccc(I)cc2)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)oxy-4-iodobenzene?
The InChIKey is DWYCMAKDNVEQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IO/c1-10-7-11(2)9-14(8-10)16-13-5-3-12(15)4-6-13/h3-6,10-11,14H,7-9H2,1-2H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)oxy-4-iodobenzene?
1-(3,5-dimethylcyclohexyl)oxy-4-iodobenzene has a molecular weight of 330.21 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)oxy-4-iodobenzene is sourced from PubChem (CID 64736506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).